# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b579d857-bbbe-423e-bf52-5d7d3d001210/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for LuGaO3 / P6_3cm (185) / materials id 768505](https://mdr.nims.go.jp/datasets/0a7c87a0-a228-4451-bd7c-724e61f4e8b0) ## Fulltext elements: [Lu, Ga, O]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [175.0, 69.72, 16.0]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [8.428117073782568e+02, 4.376022950077628e+01, 2.186675443547787e-01, 2.554672976292117e+02, 2.313699889855587e-02, 3.230254191862114e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.728016481193205e+05, -6.676255523317150e+05, 3.582001179820258e+04, 0.000000000000000e+00, 7.383468025661190e+02, 5.813289841959577e+01, 9.936237520734478e+00, 2.138504954327129e+03, 0.000000000000000e+00, -1.487308475906383e+04, 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